1-amino-2-(2,5-difluorophenyl)propan-2-ol

C9H11F2NO — CID 62773185

IUPAC1-amino-2-(2,5-difluorophenyl)propan-2-ol
SMILESCC(O)(CN)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4,13H,5,12H2,1H3
InChIKeyLLFICKVLGQXDOR-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.13
Rot. Bonds2

About 1-amino-2-(2,5-difluorophenyl)propan-2-ol

1-amino-2-(2,5-difluorophenyl)propan-2-ol (PubChem CID 62773185) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-amino-2-(2,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-amino-2-(2,5-difluorophenyl)propan-2-ol
PubChem CID62773185
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-amino-2-(2,5-difluorophenyl)propan-2-ol
SMILESCC(O)(CN)c1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4,13H,5,12H2,1H3
InChIKeyLLFICKVLGQXDOR-UHFFFAOYSA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
1-amino-2-(5-fluoro-2-methoxyphenyl)propan-2-ol
CID 79003647
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2-(2,5-difluorophenyl)-2-fluoro-3-methylbutan-1-amine
CID 112566903
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
4-amino-4-(2,5-difluorophenyl)pentan-1-ol
CID 116861706
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
4-amino-3-(2,5-difluorophenyl)-3,4-dimethylpentanoic acid
CID 66089778

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-amino-2-(2,5-difluorophenyl)propan-2-ol (CID 62773185) is 1-amino-2-(2,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-amino-2-(2,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-amino-2-(2,5-difluorophenyl)propan-2-ol is CC(O)(CN)c1cc(F)ccc1F.
What is the InChIKey of 1-amino-2-(2,5-difluorophenyl)propan-2-ol?
The InChIKey is LLFICKVLGQXDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-9(13,5-12)7-4-6(10)2-3-8(7)11/h2-4,13H,5,12H2,1H3.
What are the key properties of 1-amino-2-(2,5-difluorophenyl)propan-2-ol?
1-amino-2-(2,5-difluorophenyl)propan-2-ol has a molecular weight of 187.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 62773185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).